7-nitro-3-octoxy-1-octyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 7-nitro-3-octoxy-1-octyl-2-oxidanyl-quinolin-4-one Openeye Name: 2-hydroxy-7-nitro-3-octoxy-1-octyl-quinolin-4-one CAS Name: 2-hydroxy-7-nitro-3-octoxy-1-octyl-4-quinolinone IUPAC Name: 2-hydroxy-7-nitro-3-octoxy-1-octylquinolin-4-one Traditional Name: 2-hydroxy-7-nitro-3-octoxy-1-octyl-4-quinolone Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OCCCCCCCC

InChI

InChI=1S/C25H38N2O5/c1-3-5-7-9-11-13-17-26-22-19-20(27(30)31)15-16-21(22)23(28)24(25(26)29)32-18-14-12-10-8-6-4-2/h15-16,19,29H,3-14,17-18H2,1-2H3